2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride

C12H22ClN3O2 — CID 161165619

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.[Cl-]
InChIInChI=1S/C12H21N3O2.ClH/c1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17;/h6H,1,7-9H2,2-5H3;1H
InChIKeyXORLHXHIRUAZIP-UHFFFAOYSA-N
MW275.78 g/mol
LogP-2.42
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride (PubChem CID 161165619) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride
PubChem CID161165619
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride
SMILESC=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.[Cl-]
InChIInChI=1S/C12H21N3O2.ClH/c1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17;/h6H,1,7-9H2,2-5H3;1H
InChIKeyXORLHXHIRUAZIP-UHFFFAOYSA-N
XLogP-2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 5-2.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride (CID 161165619) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride is C=CC[N+](C)(C)CCN1C(=O)NC(C)(C)C1=O.[Cl-].
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride?
The InChIKey is XORLHXHIRUAZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-6-8-15(4,5)9-7-14-10(16)12(2,3)13-11(14)17;/h6H,1,7-9H2,2-5H3;1H.
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride has a molecular weight of 275.78 g/mol, XLogP of -2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl-dimethyl-prop-2-enylazanium chloride is sourced from PubChem (CID 161165619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).